CID 6365617

65309-61-7

Structural Information

Molecular Formula
C18H34O3
SMILES
CCCCCCCCCCCCCC/C=C(\O)/OC(=O)C
InChI
InChI=1S/C18H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)21-17(2)19/h16,20H,3-15H2,1-2H3/b18-16+
InChIKey
DMKWBHWIWNHTQD-FBMGVBCBSA-N
Compound name
[(E)-1-hydroxyhexadec-1-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.2508 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.258076 181.6
[M+Na]+ 321.240018 183.7
[M-H]- 297.243524 178.5
[M+NH4]+ 316.284623 196.3
[M+K]+ 337.213958 180.6
[M+H-H2O]+ 281.248060 175.1
[M+HCOO]- 343.249001 199.1
[M+CH3COO]- 357.264651 205.0
[M+Na-2H]- 319.225466 179.3
[M]+ 298.25025142 187.1
[M]- 298.25134858 187.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.